Fluorine in PDB 7qz7: Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp

The structure of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp, PDB code: 7qz7 was solved by A.M.W.H.Thunnissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.71 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.495, 35.091, 68.074, 90, 98.01, 90
R / Rfree (%)	22.5 / 29

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp (pdb code 7qz7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp, PDB code: 7qz7:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp within 5.0Å range: probe atom residue distance (Å) B Occ A:F67 b:101.5 occ:1.00 FAC A:TFW67 0.0 101.5 1.0 CZ2 A:TFW67 1.4 88.7 1.0 CH2 A:TFW67 2.4 76.8 1.0 CE2 A:TFW67 2.4 78.3 1.0 HZ3 A:LYS77 2.4 105.1 1.0 FAD A:TFW67 2.7 75.0 1.0 HZ2 A:LYS77 2.8 105.1 1.0 HE1 A:TFW67 2.9 106.8 1.0 NE1 A:TFW67 3.0 88.5 1.0 NZ A:LYS77 3.0 87.1 1.0 HD2 A:LYS77 3.1 82.2 1.0 CZ3 A:TFW67 3.6 65.8 1.0 HG3 A:LYS77 3.7 68.0 1.0 HZ1 A:LYS77 3.7 105.1 1.0 CD2 A:TFW67 3.7 65.6 1.0 HB2 A:LYS77 3.7 58.3 1.0 CD A:LYS77 3.8 68.0 1.0 CE A:LYS77 4.0 91.6 1.0 CG A:LYS77 4.1 56.3 1.0 CE3 A:TFW67 4.2 68.8 1.0 CD1 A:TFW67 4.3 82.4 1.0 HE2 A:LYS77 4.4 110.5 1.0 CB A:LYS77 4.4 48.1 1.0 HD3 A:LYS77 4.6 82.2 1.0 CG A:TFW67 4.6 76.0 1.0 HE3 A:LYS77 4.7 110.5 1.0 FAE A:TFW67 4.8 76.2 1.0

Fluorine binding site 2 out of 12 in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp within 5.0Å range: probe atom residue distance (Å) B Occ A:F67 b:75.0 occ:1.00 FAD A:TFW67 0.0 75.0 1.0 CH2 A:TFW67 1.4 76.8 1.0 CZ2 A:TFW67 2.3 88.7 1.0 CZ3 A:TFW67 2.4 65.8 1.0 FAC A:TFW67 2.7 101.5 1.0 FAE A:TFW67 2.8 76.2 1.0 HB2 A:LYS77 3.3 58.3 1.0 CE2 A:TFW67 3.6 78.3 1.0 CE3 A:TFW67 3.7 68.8 1.0 HD2 A:LYS77 3.8 82.2 1.0 CD2 A:TFW67 4.1 65.6 1.0 CB A:LYS77 4.2 48.1 1.0 HE3 A:TFW67 4.6 83.1 1.0 HB3 A:LYS77 4.6 58.3 1.0 CD A:LYS77 4.6 68.0 1.0 H A:LYS77 4.7 76.1 1.0 HZ3 A:LYS77 4.7 105.1 1.0 HG3 A:LYS77 4.7 68.0 1.0 CG A:LYS77 4.8 56.3 1.0 NE1 A:TFW67 4.9 88.5 1.0 N A:LYS77 4.9 63.0 1.0

Fluorine binding site 3 out of 12 in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp within 5.0Å range: probe atom residue distance (Å) B Occ A:F67 b:76.2 occ:1.00 FAE A:TFW67 0.0 76.2 1.0 CZ3 A:TFW67 1.4 65.8 1.0 CE3 A:TFW67 2.4 68.8 1.0 CH2 A:TFW67 2.4 76.8 1.0 HE3 A:TFW67 2.6 83.1 1.0 FAD A:TFW67 2.8 75.0 1.0 HA A:ARG76 3.1 79.0 1.0 HB3 A:ARG75 3.2 113.5 1.0 HB2 A:ARG75 3.4 113.5 1.0 N A:ARG76 3.5 85.0 1.0 CA A:ARG76 3.5 65.4 1.0 C A:ARG76 3.6 60.5 1.0 H A:LYS77 3.6 76.1 1.0 C A:ARG75 3.6 81.4 1.0 CD2 A:TFW67 3.6 65.6 1.0 CZ2 A:TFW67 3.6 88.7 1.0 N A:LYS77 3.7 63.0 1.0 HB2 A:LYS77 3.7 58.3 1.0 O A:ARG75 3.7 90.6 1.0 CB A:ARG75 3.7 94.1 1.0 H A:ARG76 3.9 102.5 1.0 CE2 A:TFW67 4.1 78.3 1.0 O A:ARG76 4.2 70.5 1.0 CA A:ARG75 4.3 86.2 1.0 CA A:LYS77 4.5 56.6 1.0 HA A:LYS77 4.5 68.5 1.0 CB A:LYS77 4.5 48.1 1.0 FAC A:TFW67 4.8 101.5 1.0 HA A:ARG75 4.8 104.0 1.0 HE A:ARG75 4.9 136.6 1.0 CG A:TFW67 5.0 76.0 1.0 HB3 A:LYS77 5.0 58.3 1.0

Fluorine binding site 4 out of 12 in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp within 5.0Å range: probe atom residue distance (Å) B Occ A:F96 b:90.4 occ:1.00 FAC A:TFW96 0.0 90.4 1.0 CZ2 A:TFW96 1.4 83.1 1.0 HO17 B:DM1201 2.3 90.2 1.0 CE2 A:TFW96 2.3 79.1 1.0 CH2 A:TFW96 2.4 74.5 1.0 FAD A:TFW96 2.8 71.1 1.0 HB3 B:ALA11 2.8 96.3 1.0 HG3 B:MET8 2.8 112.7 1.0 HE1 A:TFW96 2.8 86.1 1.0 HG3 B:GLN12 2.9 101.0 1.0 HG2 B:MET8 2.9 112.7 1.0 NE1 A:TFW96 2.9 71.3 1.0 O17 B:DM1201 3.1 74.7 1.0 H152 B:DM1201 3.3 121.6 1.0 O B:MET8 3.3 65.2 1.0 CG B:MET8 3.3 93.4 1.0 C17 B:DM1201 3.5 89.8 1.0 HG2 B:GLN12 3.6 101.0 1.0 CD2 A:TFW96 3.6 81.7 1.0 HB1 B:ALA11 3.6 96.3 1.0 CB B:ALA11 3.6 79.8 1.0 CZ3 A:TFW96 3.6 79.8 1.0 CG B:GLN12 3.6 83.8 1.0 HA B:MET8 3.7 113.9 1.0 H B:GLN12 3.8 85.9 1.0 HE21 B:GLN12 3.9 116.7 1.0 C16 B:DM1201 4.0 87.7 1.0 C15 B:DM1201 4.0 100.9 1.0 N B:GLN12 4.1 71.2 1.0 CE3 A:TFW96 4.1 74.9 1.0 C18 B:DM1201 4.2 88.0 1.0 C B:MET8 4.2 83.5 1.0 O19 B:DM1201 4.2 83.3 1.0 HB2 B:ALA11 4.2 96.3 1.0 CD1 A:TFW96 4.3 75.1 1.0 CA B:MET8 4.3 94.5 1.0 H151 B:DM1201 4.3 121.6 1.0 HA B:GLN12 4.3 79.6 1.0 CB B:MET8 4.4 85.2 1.0 C19 B:DM1201 4.4 78.7 1.0 NE2 B:GLN12 4.5 96.8 1.0 C B:ALA11 4.5 82.8 1.0 SD B:MET8 4.5 94.0 1.0 CD B:GLN12 4.5 66.8 1.0 CG A:TFW96 4.6 76.6 1.0 CA B:GLN12 4.6 65.9 1.0 CA B:ALA11 4.6 66.0 1.0 CB B:GLN12 4.7 80.8 1.0 FAE A:TFW96 4.7 93.0 1.0 H B:ALA11 4.9 86.1 1.0 HB3 B:MET8 4.9 102.7 1.0 C9 B:DM1201 4.9 99.9 1.0 HE2 B:MET8 4.9 105.3 1.0

Fluorine binding site 5 out of 12 in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp within 5.0Å range: probe atom residue distance (Å) B Occ A:F96 b:71.1 occ:1.00 FAD A:TFW96 0.0 71.1 1.0 CH2 A:TFW96 1.4 74.5 1.0 CZ3 A:TFW96 2.4 79.8 1.0 CZ2 A:TFW96 2.4 83.1 1.0 HG21 B:VAL15 2.6 89.2 1.0 FAE A:TFW96 2.7 93.0 1.0 HA B:GLN12 2.7 79.6 1.0 FAC A:TFW96 2.8 90.4 1.0 HG23 B:VAL15 3.1 89.2 1.0 HB1 B:ALA11 3.1 96.3 1.0 CG2 B:VAL15 3.3 73.9 1.0 N B:GLN12 3.3 71.2 1.0 C B:ALA11 3.4 82.8 1.0 HB3 B:ALA11 3.4 96.3 1.0 CA B:GLN12 3.4 65.9 1.0 HO17 B:DM1201 3.5 90.2 1.0 O B:ALA11 3.5 82.5 1.0 HG2 B:GLN12 3.5 101.0 1.0 C19 B:DM1201 3.5 78.7 1.0 HG3 B:GLN12 3.5 101.0 1.0 O19 B:DM1201 3.6 83.3 1.0 CE3 A:TFW96 3.6 74.9 1.0 CE2 A:TFW96 3.7 79.1 1.0 CB B:ALA11 3.7 79.8 1.0 H B:GLN12 3.7 85.9 1.0 C18 B:DM1201 3.8 88.0 1.0 CG B:GLN12 3.9 83.8 1.0 C20 B:DM1201 3.9 66.9 1.0 HG22 B:VAL15 4.0 89.2 1.0 HB B:VAL15 4.0 82.1 1.0 C17 B:DM1201 4.1 89.8 1.0 CD2 A:TFW96 4.1 81.7 1.0 CA B:ALA11 4.2 66.0 1.0 O17 B:DM1201 4.2 74.7 1.0 CB B:GLN12 4.2 80.8 1.0 CB B:VAL15 4.3 68.0 1.0 C1 B:DM1201 4.4 66.5 1.0 H1 B:DM1201 4.4 80.3 1.0 C7 B:DM1201 4.4 102.2 1.0 HE3 A:TFW96 4.5 90.5 1.0 HB2 B:ALA11 4.5 96.3 1.0 C5 B:DM1201 4.5 93.1 1.0 H B:VAL15 4.6 79.3 1.0 C B:GLN12 4.6 75.7 1.0 HG11 B:VAL15 4.7 77.5 1.0 HA B:ALA11 4.7 79.8 1.0 HB3 B:GLN12 4.7 97.5 1.0 C6 B:DM1201 4.8 104.5 1.0 O B:MET8 4.8 65.2 1.0 O B:GLN12 4.9 71.9 1.0 NE1 A:TFW96 4.9 71.3 1.0 HB2 B:GLN12 5.0 97.5 1.0 C16 B:DM1201 5.0 87.7 1.0

Fluorine binding site 6 out of 12 in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp within 5.0Å range: probe atom residue distance (Å) B Occ A:F96 b:93.0 occ:1.00 FAE A:TFW96 0.0 93.0 1.0 CZ3 A:TFW96 1.4 79.8 1.0 CH2 A:TFW96 2.3 74.5 1.0 CE3 A:TFW96 2.4 74.9 1.0 HG21 B:VAL15 2.6 89.2 1.0 HE3 A:TFW96 2.7 90.5 1.0 FAD A:TFW96 2.7 71.1 1.0 HG11 B:VAL15 3.0 77.5 1.0 HG11 A:VAL99 3.1 95.9 1.0 HB B:VAL15 3.3 82.1 1.0 HA B:GLN12 3.4 79.6 1.0 CG2 B:VAL15 3.5 73.9 1.0 CZ2 A:TFW96 3.6 83.1 1.0 CD2 A:TFW96 3.6 81.7 1.0 HG2 B:GLN12 3.7 101.0 1.0 CB B:VAL15 3.7 68.0 1.0 H213 B:DM1201 3.7 130.3 1.0 CG1 B:VAL15 3.8 64.2 1.0 C6 B:DM1201 3.8 104.5 1.0 HG23 B:VAL15 3.9 89.2 1.0 C5 B:DM1201 4.0 93.1 1.0 CG1 A:VAL99 4.0 79.5 1.0 C7 B:DM1201 4.0 102.2 1.0 HG12 A:VAL99 4.0 95.9 1.0 HG21 A:VAL99 4.1 96.9 1.0 CE2 A:TFW96 4.1 79.1 1.0 HG22 B:VAL15 4.2 89.2 1.0 HG12 B:VAL15 4.2 77.5 1.0 C20 B:DM1201 4.2 66.9 1.0 O6 B:DM1201 4.2 104.7 1.0 HB A:VAL99 4.2 95.7 1.0 C18 B:DM1201 4.3 88.0 1.0 C19 B:DM1201 4.4 78.7 1.0 CA B:GLN12 4.4 65.9 1.0 HO8 B:DM1201 4.5 136.2 1.0 CG B:GLN12 4.5 83.8 1.0 HG13 B:VAL15 4.5 77.5 1.0 C4 B:DM1201 4.5 85.9 1.0 C8 B:DM1201 4.6 106.6 1.0 CB A:VAL99 4.6 79.3 1.0 C21 B:DM1201 4.7 108.1 1.0 HG13 A:VAL99 4.7 95.9 1.0 HG3 B:GLN12 4.7 101.0 1.0 FAC A:TFW96 4.7 90.4 1.0 HB3 B:GLN12 4.8 97.5 1.0 CB B:GLN12 4.8 80.8 1.0 CG2 A:VAL99 4.8 80.3 1.0 C1 B:DM1201 4.9 66.5 1.0 O8 B:DM1201 4.9 113.0 1.0 HD11 A:ILE103 4.9 117.3 1.0 O4 B:DM1201 4.9 95.5 1.0 CG A:TFW96 5.0 76.6 1.0 O B:GLN12 5.0 71.9 1.0

Fluorine binding site 7 out of 12 in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp within 5.0Å range: probe atom residue distance (Å) B Occ B:F67 b:118.5 occ:1.00 FAC B:TFW67 0.0 118.5 1.0 CZ2 B:TFW67 1.4 127.5 1.0 CH2 B:TFW67 2.4 131.9 1.0 CE2 B:TFW67 2.4 114.7 1.0 FAD B:TFW67 2.8 111.8 1.0 HE1 B:TFW67 2.9 142.8 1.0 NE1 B:TFW67 3.0 118.5 1.0 HD2 B:LYS77 3.1 109.7 1.0 HB2 B:LYS77 3.5 129.8 1.0 CZ3 B:TFW67 3.7 123.5 1.0 CD2 B:TFW67 3.7 130.6 1.0 CD B:LYS77 4.0 91.5 1.0 HZ3 B:LYS77 4.0 170.5 1.0 CE3 B:TFW67 4.2 129.2 1.0 CD1 B:TFW67 4.3 113.7 1.0 CB B:LYS77 4.4 107.7 1.0 HG3 B:LYS77 4.4 108.2 1.0 HZ2 B:LYS77 4.5 170.5 1.0 CG B:LYS77 4.5 92.4 1.0 HD3 B:LYS77 4.5 109.7 1.0 NZ B:LYS77 4.6 141.7 1.0 CG B:TFW67 4.6 132.1 1.0 HB3 B:LYS77 4.7 129.8 1.0 FAE B:TFW67 4.8 121.9 1.0 CE B:LYS77 4.8 112.5 1.0

Fluorine binding site 8 out of 12 in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp within 5.0Å range: probe atom residue distance (Å) B Occ B:F67 b:111.8 occ:1.00 FAD B:TFW67 0.0 111.8 1.0 CH2 B:TFW67 1.4 131.9 1.0 CZ2 B:TFW67 2.4 127.5 1.0 CZ3 B:TFW67 2.4 123.5 1.0 FAC B:TFW67 2.8 118.5 1.0 FAE B:TFW67 2.8 121.9 1.0 HB2 B:LYS77 3.3 129.8 1.0 CE2 B:TFW67 3.6 114.7 1.0 CE3 B:TFW67 3.6 129.2 1.0 CD2 B:TFW67 4.1 130.6 1.0 CB B:LYS77 4.2 107.7 1.0 H B:LYS77 4.2 134.9 1.0 HB3 B:LYS77 4.3 129.8 1.0 HD2 B:LYS77 4.3 109.7 1.0 HE3 B:TFW67 4.5 155.6 1.0 N B:LYS77 4.6 112.0 1.0 HA B:ARG76 4.7 138.1 1.0 NE1 B:TFW67 4.9 118.5 1.0 CA B:LYS77 5.0 94.8 1.0

Fluorine binding site 9 out of 12 in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp within 5.0Å range: probe atom residue distance (Å) B Occ B:F67 b:121.9 occ:1.00 FAE B:TFW67 0.0 121.9 1.0 CZ3 B:TFW67 1.4 123.5 1.0 CE3 B:TFW67 2.4 129.2 1.0 CH2 B:TFW67 2.4 131.9 1.0 HA B:ARG76 2.4 138.1 1.0 HE3 B:TFW67 2.6 155.6 1.0 FAD B:TFW67 2.8 111.8 1.0 CA B:ARG76 3.0 114.6 1.0 H B:LYS77 3.1 134.9 1.0 C B:ARG76 3.2 127.2 1.0 N B:ARG76 3.2 122.9 1.0 N B:LYS77 3.2 112.0 1.0 O B:ARG75 3.3 116.5 1.0 C B:ARG75 3.4 126.2 1.0 HB3 B:ARG75 3.6 163.9 1.0 CD2 B:TFW67 3.6 130.6 1.0 CZ2 B:TFW67 3.6 127.5 1.0 HB2 B:LYS77 3.7 129.8 1.0 H B:ARG76 3.7 148.0 1.0 HB2 B:ARG75 3.9 163.9 1.0 O B:ARG76 4.0 127.8 1.0 CB B:ARG75 4.1 136.1 1.0 CE2 B:TFW67 4.1 114.7 1.0 CA B:LYS77 4.2 94.8 1.0 HA B:LYS77 4.3 111.2 1.0 CB B:LYS77 4.4 107.7 1.0 CA B:ARG75 4.4 135.3 1.0 CB B:ARG76 4.4 107.7 1.0 HG3 B:ARG76 4.5 169.5 1.0 HB3 B:LYS77 4.6 129.8 1.0 HG2 B:ARG76 4.7 169.5 1.0 FAC B:TFW67 4.8 118.5 1.0 HB3 B:ARG76 4.8 129.7 1.0 HA B:ARG75 4.8 162.9 1.0 CG B:ARG76 4.8 140.8 1.0 CG B:TFW67 4.9 132.1 1.0

Fluorine binding site 10 out of 12 in the Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Transcriptional Regulator Lmrr with Bound Daunomycin and with Trp-67 and Trp-96 Replaced By 5,6,7-Trifluorotrp within 5.0Å range: probe atom residue distance (Å) B Occ B:F96 b:89.6 occ:1.00 FAC B:TFW96 0.0 89.6 1.0 CZ2 B:TFW96 1.4 73.9 1.0 CH2 B:TFW96 2.4 62.2 1.0 CE2 B:TFW96 2.4 73.9 1.0 HG3 A:MET8 2.6 110.3 1.0 FAD B:TFW96 2.7 73.5 1.0 HB3 A:ALA11 2.9 82.4 1.0 HE1 B:TFW96 2.9 100.7 1.0 O19 B:DM1201 3.0 83.3 1.0 HG2 A:MET8 3.0 110.3 1.0 NE1 B:TFW96 3.0 83.5 1.0 HG3 A:GLN12 3.0 72.9 1.0 CG A:MET8 3.3 91.5 1.0 O17 B:DM1201 3.5 74.7 1.0 HB1 A:ALA11 3.6 82.4 1.0 CZ3 B:TFW96 3.6 75.7 1.0 O A:MET8 3.6 70.5 1.0 HA A:MET8 3.6 85.2 1.0 CB A:ALA11 3.6 68.2 1.0 C19 B:DM1201 3.7 78.7 1.0 CD2 B:TFW96 3.7 82.5 1.0 CG A:GLN12 3.9 60.3 1.0 HE21 A:GLN12 3.9 95.1 1.0 HG2 A:GLN12 4.0 72.9 1.0 H A:GLN12 4.0 80.6 1.0 HO17 B:DM1201 4.1 90.2 1.0 H1 B:DM1201 4.1 80.3 1.0 HB2 A:ALA11 4.1 82.4 1.0 CE3 B:TFW96 4.2 64.3 1.0 C17 B:DM1201 4.2 89.8 1.0 C18 B:DM1201 4.2 88.0 1.0 CA A:MET8 4.3 70.6 1.0 CB A:MET8 4.3 83.2 1.0 CD1 B:TFW96 4.3 81.9 1.0 N A:GLN12 4.4 66.7 1.0 SD A:MET8 4.4 99.2 1.0 C A:MET8 4.4 79.4 1.0 C20 B:DM1201 4.4 66.9 1.0 NE2 A:GLN12 4.4 78.8 1.0 HE2 A:MET8 4.6 151.7 1.0 CD A:GLN12 4.6 58.9 1.0 C1 B:DM1201 4.6 66.5 1.0 CG B:TFW96 4.6 79.0 1.0 FAE B:TFW96 4.7 73.3 1.0 C A:ALA11 4.8 57.0 1.0 HA A:GLN12 4.8 71.0 1.0 CA A:ALA11 4.8 59.7 1.0 HB3 A:MET8 4.9 100.3 1.0 HB2 A:MET8 4.9 100.3 1.0 CA A:GLN12 5.0 58.8 1.0 CB A:GLN12 5.0 61.8 1.0

J.Shao, B.P.Kuiper, A.W.H.Thunnissen, R.H.Cool, L.Zhou, C.Huang, B.W.Dijkstra, J.Broos. The Role of Tryptophan in Pi Interactions in Proteins: An Experimental Approach. J.Am.Chem.Soc. V. 144 13815 2022.
ISSN: ESSN 1520-5126
PubMed: 35868012
DOI: 10.1021/JACS.2C04986